SCHEMBL17814178

SCHEMBL17814178

OC1COCc2c(-c3cnn(C4CC4)c3)cncc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 3/20 0.36
▸ ACVR1 Q04771 3/20 0.36
▸ BMPR1A P36894 2/20 0.36
▸ CYP11B1 P15538 5/20 0.36
▸ CYP11B2 P19099 5/20 0.36
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ RET P07949 1/20 0.34
▸ KIT P10721 1/20 0.33
▸ MKNK1 Q9BUB5 2/20 0.33
▸ MKNK2 Q9HBH9 2/20 0.33
▸ CCNC P24863 2/20 0.33
▸ CDK8 P49336 2/20 0.33
▸ CDK19 Q9BWU1 2/20 0.33
▸ EIF4E P06730 1/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP3A5 P20815 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17814212 0.83 CCNC (0.37) CYP11B1CYP11B2MKNK1MKNK2CCNC
SCHEMBL17814205 0.74 CYP11B1 (0.44) CYP11B1CYP11B2JAK3IRAK4
SCHEMBL17814207 0.69 CYP11B2 (0.68) CYP11B1CYP11B2
SCHEMBL17814162 0.69 BRD4 (0.32) CYP11B1CYP11B2MKNK1MKNK2
SCHEMBL21105107 0.69 CYP11B1 (0.49) CYP11B1CYP11B2RET
SCHEMBL17814185 0.69 DNMT1 (0.39) CYP11B1CYP11B2
SCHEMBL21105086 0.69 CYP11B1 (0.36) CYP11B1CYP11B2
SCHEMBL17814166 0.68 CYP11B1 (0.35) CYP11B1CYP11B2
SCHEMBL17814182 0.68 CYP11B1 (0.35) CYP11B1CYP11B2CCNCCDK8IRAK4
SCHEMBL17814124 0.68 CCNC (0.45) CYP11B1CYP11B2CCNCCDK8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227300-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-06-19 — — EP disclosed
EP-3227300-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-06-19 — — EP disclosed
US-9890171-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-13 — — US disclosed
US-9890171-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-13 — — US disclosed
US-9890171-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-13 — — US disclosed
US-20170267688-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-09-21 — — US disclosed
US-20170267688-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-09-21 — — US disclosed
US-20170267688-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-09-21 — — US disclosed
WO-2016089800-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-06-09 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170267688-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP11B1, CYP21A2, CYP11B2 ACVRL1 1467/4885ACVR1 797/4885BMPR1A 1684/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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